2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone

C23H25F2N5O — CID 19487314

IUPAC2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCN(Cc3cccc(F)c3F)CC2)c2nccc(C3CC3)c12
InChIInChI=1S/C23H25F2N5O/c1-15-21-18(16-5-6-16)7-8-26-23(21)30(27-15)14-20(31)29-11-9-28(10-12-29)13-17-3-2-4-19(24)22(17)25/h2-4,7-8,16H,5-6,9-14H2,1H3
InChIKeyKWVIFHBLEGJCBV-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.24
Rot. Bonds5

About 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone

2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 19487314) has the molecular formula C23H25F2N5O and a molecular weight of 425.48 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone
PubChem CID19487314
Molecular FormulaC23H25F2N5O
Molecular Weight425.48 g/mol
Exact Mass425.20
IUPAC Name2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCN(Cc3cccc(F)c3F)CC2)c2nccc(C3CC3)c12
InChIInChI=1S/C23H25F2N5O/c1-15-21-18(16-5-6-16)7-8-26-23(21)30(27-15)14-20(31)29-11-9-28(10-12-29)13-17-3-2-4-19(24)22(17)25/h2-4,7-8,16H,5-6,9-14H2,1H3
InChIKeyKWVIFHBLEGJCBV-UHFFFAOYSA-N
XLogP3.24
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 19499621
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19487441
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(5-methyl-3-nitropyrazol-1-yl)ethanone
CID 19531543
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]ethanone
CID 19485086
1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)ethanone
CID 19489351
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone
CID 19528000
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 19487256
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]ethanone
CID 19485074
1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]ethanone
CID 19481776
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-1-one
CID 19558464
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 19527457
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]ethanone
CID 19485075

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone (CID 19487314) is 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone is Cc1nn(CC(=O)N2CCN(Cc3cccc(F)c3F)CC2)c2nccc(C3CC3)c12.
What is the InChIKey of 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is KWVIFHBLEGJCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O/c1-15-21-18(16-5-6-16)7-8-26-23(21)30(27-15)14-20(31)29-11-9-28(10-12-29)13-17-3-2-4-19(24)22(17)25/h2-4,7-8,16H,5-6,9-14H2,1H3.
What are the key properties of 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone?
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 425.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 19487314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).